ChemSpider 2D Image | 3-[5,8-Bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14 -yl]-2-hydroxypropanamide | C57H101N13O18

3-[5,8-Bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14 -yl]-2-hydroxypropanamide

  • Molecular FormulaC57H101N13O18
  • Average mass1256.488 Da
  • Monoisotopic mass1255.738770 Da
  • ChemSpider ID7988153

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1,4,7,10,13,16,19,22,25,28-Decaazacyclohentriacontane-5,8-diacetamide, 14-(3-amino-2-hydroxy-3-oxopropyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18, 21,24,27,31-decaoxo- [ACD/Index Name]
3-[5,8-Bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14 -yl]-2-hydroxypropanamid [German] [ACD/IUPAC Name]
3-[5,8-Bis(2-amino-2-oxoethyl)-23-(3-hydroxydodecyl)-2-(8-hydroxydodecyl)-17,20-bis(1-hydroxyethyl)-11-methyl-3,6,9,12,15,18,21,24,27,31-decaoxo-1,4,7,10,13,16,19,22,25,28-decaazacyclohentriacontan-14 -yl]-2-hydroxypropanamide [ACD/IUPAC Name]
3-[5,8-Bis(2-amino-2-oxoéthyl)-23-(3-hydroxydodécyl)-2-(8-hydroxydodécyl)-17,20-bis(1-hydroxyéthyl)-11-méthyl-3,6,9,12,15,18,21,24,27,31-décaoxo-1,4,7,10,13,16,19,22,25,28-décaazacyclohéntriacontan-14 -yl]-2-hydroxypropanamide [French] [ACD/IUPAC Name]
Arborcandin A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.0 g/cm3
Boiling Point: 1670.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.0 mmHg at 25°C
Enthalpy of Vaporization: 295.5±0.0 kJ/mol
Flash Point: 964.0±0.0 °C
Index of Refraction: 1.492
Molar Refractivity: 317.0±0.0 cm3
#H bond acceptors: 31
#H bond donors: 21
#Freely Rotating Bonds: 36
#Rule of 5 Violations: 3
ACD/LogP: -5.43
ACD/LogD (pH 5.5): -5.43
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): -5.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 521 Å2
Polarizability: 125.7±0.0 10-24cm3
Surface Tension: 42.1±0.0 dyne/cm
Molar Volume: 1092.0±0.0 cm3

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